SCHEMBL31532385

SCHEMBL31532385

O=c1ccc(OC(F)F)cn1CC1CC2(CNC2)C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.33
ALDH1A1 P00352 4/20 0.31
HTT P42858 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
CCR6 P51684 1/20 0.31
ATM Q13315 1/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31
DAO P14920 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31532472 0.83 DRD3 (0.33) FFAR4
SCHEMBL30775994 0.76 TDP1 (0.43) ALDH1A1HTTKMT2AMEN1LMNA
SCHEMBL31532465 0.73 CYP1A2 (0.35)
SCHEMBL31532412 0.73 GLA (0.39) ALDH1A1HTTKMT2AMEN1LMNA
SCHEMBL29497379 0.69 FFAR4 (0.37) ALDH1A1HTTMAPTNPSR1POLB
SCHEMBL25327092 0.67 GRIA1 (0.33)
SCHEMBL25146047 0.65 GRM2 (0.35) KMT2AMEN1CHRNB2CHRNA4
SCHEMBL25945329 0.63 GRIA2 (0.33)
SCHEMBL30775960 0.62 GRIA2 (0.30)
SCHEMBL31532478 0.60 KDM4E (0.34) ALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 MAT2A 2336/4885ALDH1A1 411/4885HTT 83/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.